Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | CTSS | P25774 | 1/20 | 0.30 |
| ▸ | CTSK | P43235 | 1/20 | 0.30 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL22341343 | 0.77 | FFAR3 (0.39) | NPSR1ALDH1A1CYP2C19MAPK1 | |
| SCHEMBL23573467 | 0.70 | CXCR2 (0.38) | NPSR1MAPK1 | |
| SCHEMBL15565744 | 0.70 | CYP3A4 (0.34) | ALDH1A1CYP3A4KMT2A | |
| SCHEMBL18920053 | 0.68 | BDKRB1 (0.37) | NPSR1MAPK1 | |
| SCHEMBL16612546 | 0.68 | OPRM1 (0.40) | CYP2C19CYP2C9 | |
| SCHEMBL13697420 | 0.67 | — | — | |
| SCHEMBL15727965 | 0.67 | — | — | |
| SCHEMBL13697419 | 0.67 | — | — | |
| SCHEMBL16370301 | 0.67 | F10 (0.34) | NPSR1ALDH1A1CYP2C19CYP2C9MAPK1 | |
| SCHEMBL785943 | 0.66 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2857388-A1 | Azoles containing sulfone | Grünenthal GmbH (DE) | 2015-04-08 | — | — | EP | disclosed |